tert-butyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H27N3O3S/c1-12-10-13(2)16-15(11-12)27-18(21-16)22-17(24)14-6-8-23(9-7-14)19(25)26-20(3,4)5/h10-11,14H,6-9H2,1-5H3,(H,21,22,24)